N-(9,10-dioxoanthracen-1-yl)-2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetamide

Formula:C28H18N2O5S Mutagenic:low Tumorigenic:none Reproductive Effective:none N-(9,10-dioxoanthracen-1-yl)-2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(9,10-dioxoanthracen-1-yl)-2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C28H18N2O5S
Smiles	O=C(CN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=O)Nc(cccc1C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C28H18N2O5S/c31-23(16-30-27(34)22(36-28(30)35)15-6-10-17-8-2-1-3-9-17)29-21-14-7-13-20-24(21)26(33)19-12-5-4-11-18(19)25(20)32/h1-15H,16H2,(H,29,31)
InChIK	NWAHKQMDEOLGDA-UHFFFAOYSA-N
TotalMolweight	494.526
Molweight	494.526
MonoisotopicMass	494.093643
CLogP	4.5651
CLogS	-7.487
H Acceptors	7
H Donors	1
TotalSurfaceArea	358.75
Relative PSA	0.27233
PolarSurfaceArea	125.92
Druglikeness	5.5925
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(9,10-dioxoanthracen-1-yl)-2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetamide | 2 - N-(9,10-dioxoanthracen-1-yl)-2-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]acetamide

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